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Geometry for CH3NNCH3 ((E)-1,2-Dimethyldiazene) 1AG C2H

1910171554
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3+ INChIKey=JCCAVOLDXDEODY-ONEGZZNKSA-N

PBEPBE/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3740 0.5024 0.0000   0.5551 0.2901 0.0000
N2 -0.3740 -0.5024 0.0000   -0.5551 -0.2901 0.0000
C3 -0.3740 1.7642 0.0000   1.6833 -0.6472 0.0000
C4 0.3740 -1.7642 0.0000   -1.6833 0.6472 0.0000
H5 -1.4701 1.6052 0.0000   1.3536 -1.7046 0.0000
H6 1.4701 -1.6052 0.0000   -1.3536 1.7046 0.0000
H7 -0.0585 2.3426 0.8896   2.3041 -0.4268 0.8896
H8 -0.0585 2.3426 -0.8896   2.3041 -0.4268 -0.8896
H9 0.0585 -2.3426 0.8896   -2.3041 0.4268 0.8896
H10 0.0585 -2.3426 -0.8896   -2.3041 0.4268 -0.8896
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2527 1.4668 2.2666 2.1487 2.3757 2.0892 2.0892 2.9975 2.9975
N2 1.2527 2.2666 1.4668 2.3757 2.1487 2.9975 2.9975 2.0892 2.0892
C3 1.4668 2.2666 3.6068 1.1076 3.8410 1.1070 1.1070 4.2242 4.2242
C4 2.2666 1.4668 3.6068 3.8410 1.1076 4.2242 4.2242 1.1070 1.1070
H5 2.1487 2.3757 1.1076 3.8410 4.3534 1.8242 1.8242 4.3259 4.3259
H6 2.3757 2.1487 3.8410 1.1076 4.3534 4.3259 4.3259 1.8242 1.8242
H7 2.0892 2.9975 1.1070 4.2242 1.8242 4.3259 1.7792 4.6867 5.0130
H8 2.0892 2.9975 1.1070 4.2242 1.8242 4.3259 1.7792 5.0130 4.6867
H9 2.9975 2.0892 4.2242 1.1070 4.3259 1.8242 4.6867 5.0130 1.7792
H10 2.9975 2.0892 4.2242 1.1070 4.3259 1.8242 5.0130 4.6867 1.7792
Maximum atom distance is 5.0130Å between atoms H7 and H10.
picture of (E)-1,2-Dimethyldiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 112.683 N2 N1 C3 112.683
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 112.405 N1 C3 H7 107.708
N1 C3 H8 107.708 N2 C4 H6 112.405
N2 C4 H9 107.708 N2 C4 H10 107.708
H5 C3 H7 110.917 H5 C3 H8 110.917
H6 C4 H9 110.917 H6 C4 H10 110.917
H7 C3 H8 106.952 H9 C4 H10 106.952

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.